ChemSpider 2D Image | Lissoclinamide 4 | C38H43N7O5S2

Lissoclinamide 4

  • Molecular FormulaC38H43N7O5S2
  • Average mass741.922 Da
  • Monoisotopic mass741.276733 Da
  • ChemSpider ID10380431

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,8S,15S,18R,22R,25S,26R)-8,15-Dibenzyl-22-isopropyl-26-methyl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tetraen-7,10 ,17,24-tetron [German] [ACD/IUPAC Name]
(2S,8S,15S,18R,22R,25S,26R)-8,15-Dibenzyl-22-isopropyl-26-methyl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tetraene-7,1 0,17,24-tetrone [ACD/IUPAC Name]
(2S,8S,15S,18R,22R,25S,26R)-8,15-Dibenzyl-22-isopropyl-26-méthyl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tétraène-7,1 0,17,24-tétrone [French] [ACD/IUPAC Name]
(2S,8S,15S,18R,22R,25S,26R)-8,15-Dibenzyl-22-isopropyl-26-methyl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tetraene-7,10,17,24-tetrone
Lissoclinamide 4
126452-98-0 [RN]
lissoclinamide 8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 1025.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 574.1±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 202.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.09
ACD/KOC (pH 5.5): 154.98
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.15
ACD/KOC (pH 7.4): 156.17
Polar Surface Area: 208 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 504.0±7.0 cm3

Click to predict properties on the Chemicalize site


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